N,6-dimethyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine

C21H16F3NOS — CID 134528018

IUPACN,6-dimethyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine
SMILESCc1cccc2c1sc1c(N(C)c3ccccc3OC(F)(F)F)cccc12
InChIInChI=1S/C21H16F3NOS/c1-13-7-5-8-14-15-9-6-11-17(20(15)27-19(13)14)25(2)16-10-3-4-12-18(16)26-21(22,23)24/h3-12H,1-2H3
InChIKeyIGVYKGSZJFFEHP-UHFFFAOYSA-N
MW387.43 g/mol
LogP7.03
Rot. Bonds3

About N,6-dimethyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine

N,6-dimethyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine (PubChem CID 134528018) has the molecular formula C21H16F3NOS and a molecular weight of 387.43 g/mol. Its IUPAC name is N,6-dimethyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine.

Molecular Properties

Compound NameN,6-dimethyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine
PubChem CID134528018
Molecular FormulaC21H16F3NOS
Molecular Weight387.43 g/mol
Exact Mass387.09
IUPAC NameN,6-dimethyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine
SMILESCc1cccc2c1sc1c(N(C)c3ccccc3OC(F)(F)F)cccc12
InChIInChI=1S/C21H16F3NOS/c1-13-7-5-8-14-15-9-6-11-17(20(15)27-19(13)14)25(2)16-10-3-4-12-18(16)26-21(22,23)24/h3-12H,1-2H3
InChIKeyIGVYKGSZJFFEHP-UHFFFAOYSA-N
XLogP7.03
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.43
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine?
The IUPAC name of N,6-dimethyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine (CID 134528018) is N,6-dimethyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine.
What is the SMILES notation for N,6-dimethyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine?
The canonical SMILES for N,6-dimethyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine is Cc1cccc2c1sc1c(N(C)c3ccccc3OC(F)(F)F)cccc12.
What is the InChIKey of N,6-dimethyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine?
The InChIKey is IGVYKGSZJFFEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3NOS/c1-13-7-5-8-14-15-9-6-11-17(20(15)27-19(13)14)25(2)16-10-3-4-12-18(16)26-21(22,23)24/h3-12H,1-2H3.
What are the key properties of N,6-dimethyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine?
N,6-dimethyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine has a molecular weight of 387.43 g/mol, XLogP of 7.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 134528018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).